대용량 의생물학 링크드 데이터를 위한 그래프 경로 탐색

학위논문 (박사)-- 서울대학교 대학원 : 치의과학과, 2017. 2. 김홍기.A drug could give rise to an adverse effect when combined with another particular drug. Addressing the underlying causes of the adverse effects is crucial for researchers to develop new drugs and for clinicians to prescribe medicine. Most existing approaches attempt to identify a set of target genes for which drugs are most effective, which provides insufficient information regarding these causes in terms of biological dynamics. Drugs should instead be considered as participants in activating a sequence of pathways that lead to some effects. I believe that the causes can better be understood by such linked pathways. Therefore, the purpose of this thesis is to develop algorithms and tools that can be used to discover a sequence of pathways that is activated by a particular drug combination. Furthermore, these algorithms are required to be scalable to manage massive biomedical Linked Data because up-to-date results of biomedical research are increasingly available in Linked Data. My hypothesis is that for a drug combination, when a drug up-regulates particular pathways in one direction and another drug down-regulates the same pathways in an opposite direction, adverse effects may occur by the drug combination. In this regard, the problem of revealing the causes of adverse effects of drug combinations is cast into the problem of discovering paths of a sequence of linked pathways that begins and ends at the genes that the given drugs target. Therefore, the scalable graph path discovery and matching algorithms are devised such that they work with a distributed computing environment. A pathway graph model is defined to integrate diverse biomedical datasets and a visualization tool is implemented to provide biomedical researchers and clinicians with intuitive interfaces for revealing the causes of the adverse effects. An algorithm for the shortest graph path discovery is proposed. An existing relational database approach is adapted to address the shortest graph path discovery in a distributed computing framework, in particular, Spark. The 2-hop reachability index is exploited to prune non-reachable paths during discovery computation. A vertex re-labeling technique is proposed to reduce the size of the 2-hop reachability index. Experimental results show that the proposed approach can successfully manage a large graph, which previous studies have failed to do. The discovered shortest graph path can be transformed into a graph path query to find another similar graph path. To achieve this, a MapReduce algorithm for graph path matching, based on multi-way joins, is proposed. A signature encoding technique is devised to prune intermediate data that is not relevant to the given query. Experiments against RDF (Resource Description Framework) datasets show that SPARQL query processing is faster than the state-of-the-art approaches. To adapt these algorithms into the problem of drug combinations causing adverse effects, a novel pathway graph model is proposed. In particular, a pathway relationship model is describeddirected links between pathways are established using protein–protein interactions and up/down regulations between genes. A prototype system based on a visualization framework is implemented and applied to a pathway graph that is built on the basis of several biomedical Linked Data (e.g. Reactome, KEGG, BioGrid, STRING and etc). A list of candidate drug combinations is obtained using the proposed system, which is compared with known drug-drug combinations available in DrugBank. A scalable graph path discovery solution is proposed in this thesis. Distributed computing frameworks and several index structures are exploited to efficiently handle massive graphs. A pathway graph model is defined and a prototype system for biomedical researchers is implemented to apply the algorithms to the problem of drug combinations causing adverse effects. In future works, the solution will be generalized to address the temporal organization of signaling pathways, thereby enabling the causes of adverse effects of drug combination to be better understood.I. Introduction 1 1.1 Background and Motivation 1 1.2 Contributions 4 1.2.1 Shortest Graph Path Discovery based on Reachability Index 4 1.2.2 Graph Path Matching based on Signature Encoding 5 1.2.3 Application to Biomedical Linked Data 6 1.3 Thesis Organization 6 II. Preliminaries and RelatedWork 9 2.1 Graph 9 2.2 Graph Path 10 2.3 Acyclic Transformation 11 2.4 Reachability 11 2.5 Distributed Computing Frameworks 12 2.6 RDF & SPARQL 12 2.7 SPARQL Processing Engines 14 III. Shortest Graph Path Discovery based on Reachability Index 17 3.1 Introduction 17 3.2 Space Reduction of Reachability Index 18 3.2.1 Introduction 18 3.2.2 Related Work 21 3.2.3 The Proposed Approach 24 3.2.4 Theoretical Analysis 25 3.2.5 Experimental Results 31 3.2.6 Conclusion and Future Work 33 3.3 Shortest Path Discovery 40 3.3.1 Introduction 40 3.3.2 FEM 41 3.3.3 FEM-SR 42 3.3.4 Theoretical Analysis 46 3.3.5 Experimental Results 51 3.3.6 Federated Shortest Path Discovery 53 3.4 Conclusion 55 IV. Graph Path Matching based on Signature Encoding 61 4.1 Introduction 61 4.2 Related Work 67 4.3 Limitations of MapReduce-based SPARQL engines 68 4.4 SigMR 69 4.5 Index Structure 70 4.5.1 Encoding Joined Triples 72 4.6 Index Building 76 4.7 Query Processing 83 4.8 Theoretical Analysis 88 4.8.1 Cost Model 89 4.8.2 Correctness 92 4.9 Experiments 94 4.9.1 Index Building Time and Space Requirements 95 4.9.2 Query Execution Time 98 4.9.3 Effect of Signature Encoding 100 4.9.4 Effect of the Size of Join Matrix 100 4.10 Conclusion 102 V. Application to Biomedical Linked Data 105 5.1 Introduction 105 5.2 Related Work 106 5.3 Data Model 108 5.4 CyHadoop 116 5.5 Scenario 119 5.6 Preliminary Results 120 5.7 Future Directions 121 VI. Conclusion 129 References 131 Appendix 141 초록 153Docto

From Frequency to Meaning: Vector Space Models of Semantics

Computers understand very little of the meaning of human language. This profoundly limits our ability to give instructions to computers, the ability of computers to explain their actions to us, and the ability of computers to analyse and process text. Vector space models (VSMs) of semantics are beginning to address these limits. This paper surveys the use of VSMs for semantic processing of text. We organize the literature on VSMs according to the structure of the matrix in a VSM. There are currently three broad classes of VSMs, based on term-document, word-context, and pair-pattern matrices, yielding three classes of applications. We survey a broad range of applications in these three categories and we take a detailed look at a specific open source project in each category. Our goal in this survey is to show the breadth of applications of VSMs for semantics, to provide a new perspective on VSMs for those who are already familiar with the area, and to provide pointers into the literature for those who are less familiar with the field

Big Data and Large-scale Data Analytics: Efficiency of Sustainable Scalability and Security of Centralized Clouds and Edge Deployment Architectures

One of the significant shifts of the next-generation computing technologies will certainly be in the development of Big Data (BD) deployment architectures. Apache Hadoop, the BD landmark, evolved as a widely deployed BD operating system. Its new features include federation structure and many associated frameworks, which provide Hadoop 3.x with the maturity to serve different markets. This dissertation addresses two leading issues involved in exploiting BD and large-scale data analytics realm using the Hadoop platform. Namely, (i)Scalability that directly affects the system performance and overall throughput using portable Docker containers. (ii) Security that spread the adoption of data protection practices among practitioners using access controls. An Enhanced Mapreduce Environment (EME), OPportunistic and Elastic Resource Allocation (OPERA) scheduler, BD Federation Access Broker (BDFAB), and a Secure Intelligent Transportation System (SITS) of multi-tiers architecture for data streaming to the cloud computing are the main contribution of this thesis study

Data Infrastructure for Medical Research

While we are witnessing rapid growth in data across the sciences and in many applications, this growth is particularly remarkable in the medical domain, be it because of higher resolution instruments and diagnostic tools (e.g. MRI), new sources of structured data like activity trackers, the wide-spread use of electronic health records and many others. The sheer volume of the data is not, however, the only challenge to be faced when using medical data for research. Other crucial challenges include data heterogeneity, data quality, data privacy and so on. In this article, we review solutions addressing these challenges by discussing the current state of the art in the areas of data integration, data cleaning, data privacy, scalable data access and processing in the context of medical data. The techniques and tools we present will give practitioners — computer scientists and medical researchers alike — a starting point to understand the challenges and solutions and ultimately to analyse medical data and gain better and quicker insights

A comparison of statistical machine learning methods in heartbeat detection and classification

In health care, patients with heart problems require quick responsiveness in a clinical setting or in the operating theatre. Towards that end, automated classification of heartbeats is vital as some heartbeat irregularities are time consuming to detect. Therefore, analysis of electro-cardiogram (ECG) signals is an active area of research. The methods proposed in the literature depend on the structure of a heartbeat cycle. In this paper, we use interval and amplitude based features together with a few samples from the ECG signal as a feature vector. We studied a variety of classification algorithms focused especially on a type of arrhythmia known as the ventricular ectopic fibrillation (VEB). We compare the performance of the classifiers against algorithms proposed in the literature and make recommendations regarding features, sampling rate, and choice of the classifier to apply in a real-time clinical setting. The extensive study is based on the MIT-BIH arrhythmia database. Our main contribution is the evaluation of existing classifiers over a range sampling rates, recommendation of a detection methodology to employ in a practical setting, and extend the notion of a mixture of experts to a larger class of algorithms

Efficient similarity computations on parallel machines using data shaping

Similarity computation is a fundamental operation in all forms of data. Big Data is, typically, characterized by attributes such as volume, velocity, variety, veracity, etc. In general, Big Data variety appears as structured, semi-structured or unstructured forms. The volume of Big Data in general, and semi-structured data in particular, is increasing at a phenomenal rate. Big Data phenomenon is posing new set of challenges to similarity computation problems occurring in semi-structured data. Technology and processor architecture trends suggest very strongly that future processors shall have ten\u27s of thousands of cores (hardware threads). Another crucial trend is that ratio between on-chip and off-chip memory to core counts is decreasing. State-of-the-art parallel computing platforms such as General Purpose Graphics Processors (GPUs) and MICs are promising for high performance as well high throughput computing. However, processing semi-structured component of Big Data efficiently using parallel computing systems (e.g. GPUs) is challenging. Reason being most of the emerging platforms (e.g. GPUs) are organized as Single Instruction Multiple Thread/Data machines which are highly structured, where several cores (streaming processors) operate in lock-step manner, or they require a high degree of task-level parallelism. We argue that effective and efficient solutions to key similarity computation problems need to operate in a synergistic manner with the underlying computing hardware. Moreover, semi-structured form input data needs to be shaped or reorganized with the goal to exploit the enormous computing power of \textit{state-of-the-art} highly threaded architectures such as GPUs. For example, shaping input data (via encoding) with minimal data-dependence can facilitate flexible and concurrent computations on high throughput accelerators/co-processors such as GPU, MIC, etc. We consider various instances of traditional and futuristic problems occurring in intersection of semi-structured data and data analytics. Preprocessing is an operation common at initial stages of data processing pipelines. Typically, the preprocessing involves operations such as data extraction, data selection, etc. In context of semi-structured data, twig filtering is used in identifying (and extracting) data of interest. Duplicate detection and record linkage operations are useful in preprocessing tasks such as data cleaning, data fusion, and also useful in data mining, etc., in order to find similar tree objects. Likewise, tree edit is a fundamental metric used in context of tree problems; and similarity computation between trees another key problem in context of Big Data. This dissertation makes a case for platform-centric data shaping as a potent mechanism to tackle the data- and architecture-borne issues in context of semi-structured data processing on GPU and GPU-like parallel architecture machines. In this dissertation, we propose several data shaping techniques for tree matching problems occurring in semi-structured data. We experiment with real world datasets. The experimental results obtained reveal that the proposed platform-centric data shaping approach is effective for computing similarities between tree objects using GPGPUs. The techniques proposed result in performance gains up to three orders of magnitude, subject to problem and platform